2,4-di(cyclodecylidene)-3-(1-cyclodecylideneethyl)-3-[1-[1-[2,4-di(cyclodecylidene)-3-(1-cyclodecylideneethyl)oxetan-3-yl]ethenoxy]ethenyl]oxetane

C74H118O3 — CID 142702969

IUPAC2,4-di(cyclodecylidene)-3-(1-cyclodecylideneethyl)-3-[1-[1-[2,4-di(cyclodecylidene)-3-(1-cyclodecylideneethyl)oxetan-3-yl]ethenoxy]ethenyl]oxetane
SMILESC=C(OC(=C)C1(C(C)=C2CCCCCCCCC2)C(=C2CCCCCCCCC2)OC1=C1CCCCCCCCC1)C1(C(C)=C2CCCCCCCCC2)C(=C2CCCCCCCCC2)OC1=C1CCCCCCCCC1
InChIInChI=1S/C74H118O3/c1-59(63-47-35-23-11-5-12-24-36-48-63)73(69(65-51-39-27-15-7-16-28-40-52-65)76-70(73)66-53-41-29-17-8-18-30-42-54-66)61(3)75-62(4)74(60(2)64-49-37-25-13-6-14-26-38-50-64)71(67-55-43-31-19-9-20-32-44-56-67)77-72(74)68-57-45-33-21-10-22-34-46-58-68/h3-58H2,1-2H3
InChIKeyMJDFLFFCRGSQNZ-UHFFFAOYSA-N
MW1055.75 g/mol
LogP24.86
Rot. Bonds6

About 2,4-di(cyclodecylidene)-3-(1-cyclodecylideneethyl)-3-[1-[1-[2,4-di(cyclodecylidene)-3-(1-cyclodecylideneethyl)oxetan-3-yl]ethenoxy]ethenyl]oxetane

2,4-di(cyclodecylidene)-3-(1-cyclodecylideneethyl)-3-[1-[1-[2,4-di(cyclodecylidene)-3-(1-cyclodecylideneethyl)oxetan-3-yl]ethenoxy]ethenyl]oxetane (PubChem CID 142702969) has the molecular formula C74H118O3 and a molecular weight of 1055.75 g/mol. Its IUPAC name is 2,4-di(cyclodecylidene)-3-(1-cyclodecylideneethyl)-3-[1-[1-[2,4-di(cyclodecylidene)-3-(1-cyclodecylideneethyl)oxetan-3-yl]ethenoxy]ethenyl]oxetane.

Molecular Properties

Compound Name2,4-di(cyclodecylidene)-3-(1-cyclodecylideneethyl)-3-[1-[1-[2,4-di(cyclodecylidene)-3-(1-cyclodecylideneethyl)oxetan-3-yl]ethenoxy]ethenyl]oxetane
PubChem CID142702969
Molecular FormulaC74H118O3
Molecular Weight1055.75 g/mol
Exact Mass1054.91
IUPAC Name2,4-di(cyclodecylidene)-3-(1-cyclodecylideneethyl)-3-[1-[1-[2,4-di(cyclodecylidene)-3-(1-cyclodecylideneethyl)oxetan-3-yl]ethenoxy]ethenyl]oxetane
SMILESC=C(OC(=C)C1(C(C)=C2CCCCCCCCC2)C(=C2CCCCCCCCC2)OC1=C1CCCCCCCCC1)C1(C(C)=C2CCCCCCCCC2)C(=C2CCCCCCCCC2)OC1=C1CCCCCCCCC1
InChIInChI=1S/C74H118O3/c1-59(63-47-35-23-11-5-12-24-36-48-63)73(69(65-51-39-27-15-7-16-28-40-52-65)76-70(73)66-53-41-29-17-8-18-30-42-54-66)61(3)75-62(4)74(60(2)64-49-37-25-13-6-14-26-38-50-64)71(67-55-43-31-19-9-20-32-44-56-67)77-72(74)68-57-45-33-21-10-22-34-46-58-68/h3-58H2,1-2H3
InChIKeyMJDFLFFCRGSQNZ-UHFFFAOYSA-N
XLogP24.86
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001055.75
LogP ≤ 524.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2,4-di(cyclodecylidene)-3-(1-cyclodecylideneethyl)-3-[1-[1-[2,4-di(cyclodecylidene)-3-(1-cyclodecylideneethyl)oxetan-3-yl]ethenoxy]ethenyl]oxetane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4-di(cyclodecylidene)-3-(1-cyclodecylideneethyl)-3-[1-[1-[2,4-di(cyclodecylidene)-3-(1-cyclodecylideneethyl)oxetan-3-yl]ethenoxy]ethenyl]oxetane?
The IUPAC name of 2,4-di(cyclodecylidene)-3-(1-cyclodecylideneethyl)-3-[1-[1-[2,4-di(cyclodecylidene)-3-(1-cyclodecylideneethyl)oxetan-3-yl]ethenoxy]ethenyl]oxetane (CID 142702969) is 2,4-di(cyclodecylidene)-3-(1-cyclodecylideneethyl)-3-[1-[1-[2,4-di(cyclodecylidene)-3-(1-cyclodecylideneethyl)oxetan-3-yl]ethenoxy]ethenyl]oxetane.
What is the SMILES notation for 2,4-di(cyclodecylidene)-3-(1-cyclodecylideneethyl)-3-[1-[1-[2,4-di(cyclodecylidene)-3-(1-cyclodecylideneethyl)oxetan-3-yl]ethenoxy]ethenyl]oxetane?
The canonical SMILES for 2,4-di(cyclodecylidene)-3-(1-cyclodecylideneethyl)-3-[1-[1-[2,4-di(cyclodecylidene)-3-(1-cyclodecylideneethyl)oxetan-3-yl]ethenoxy]ethenyl]oxetane is C=C(OC(=C)C1(C(C)=C2CCCCCCCCC2)C(=C2CCCCCCCCC2)OC1=C1CCCCCCCCC1)C1(C(C)=C2CCCCCCCCC2)C(=C2CCCCCCCCC2)OC1=C1CCCCCCCCC1.
What is the InChIKey of 2,4-di(cyclodecylidene)-3-(1-cyclodecylideneethyl)-3-[1-[1-[2,4-di(cyclodecylidene)-3-(1-cyclodecylideneethyl)oxetan-3-yl]ethenoxy]ethenyl]oxetane?
The InChIKey is MJDFLFFCRGSQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H118O3/c1-59(63-47-35-23-11-5-12-24-36-48-63)73(69(65-51-39-27-15-7-16-28-40-52-65)76-70(73)66-53-41-29-17-8-18-30-42-54-66)61(3)75-62(4)74(60(2)64-49-37-25-13-6-14-26-38-50-64)71(67-55-43-31-19-9-20-32-44-56-67)77-72(74)68-57-45-33-21-10-22-34-46-58-68/h3-58H2,1-2H3.
What are the key properties of 2,4-di(cyclodecylidene)-3-(1-cyclodecylideneethyl)-3-[1-[1-[2,4-di(cyclodecylidene)-3-(1-cyclodecylideneethyl)oxetan-3-yl]ethenoxy]ethenyl]oxetane?
2,4-di(cyclodecylidene)-3-(1-cyclodecylideneethyl)-3-[1-[1-[2,4-di(cyclodecylidene)-3-(1-cyclodecylideneethyl)oxetan-3-yl]ethenoxy]ethenyl]oxetane has a molecular weight of 1055.75 g/mol, XLogP of 24.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(cyclodecylidene)-3-(1-cyclodecylideneethyl)-3-[1-[1-[2,4-di(cyclodecylidene)-3-(1-cyclodecylideneethyl)oxetan-3-yl]ethenoxy]ethenyl]oxetane is sourced from PubChem (CID 142702969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).